ethyl (2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-2-phenyl-acetate CAS Name: (2S)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-2-phenylacetate Traditional Name: (2S)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]-2-phenyl-acetic acid ethyl ester Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NC3=C2C(=C(S3)C)C

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC=NC3=C2C(=C(S3)C)C

InChI

InChI=1S/C18H18N2O2S2/c1-4-22-18(21)15(13-8-6-5-7-9-13)24-17-14-11(2)12(3)23-16(14)19-10-20-17/h5-10,15H,4H2,1-3H3/t15-/m0/s1